HRID2346158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11524

Cyclohexanol, 4-methyl-

C7H14O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

反应SMILES：COC(=O)c1cccc(CN(c2nccc(-c3ccc(O)cc3)n2)C2CCCC2)c1

HCID136352437

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1cccc(CN(c2nccc(-c3ccc(OC4CCC(C)CC4)cc3)n2)C2CCCC2)c1

HCID68647989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9928f76cb93d462ab56d2893d709cf03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH2:73]1[O:74][CH2:75][CH2:76][CH2:77]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH2:10][N:11]([c:12]2[n:13][cH:14][cH:15][c:16](-[c:18]3[cH:19][cH:20][c:21]([OH:24])[cH:22][cH:23]3)[n:17]2)[CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[cH:7][cH:8][cH:9]1)=[O:30].[CH3:31][CH:32]1[CH2:33][CH2:34][CH:35]([OH:38])[CH2:36][CH2:37]1.[O:58]=[C:59]([O:60][CH:61]([CH3:62])[CH3:63])[N:64]=[N:65][C:66]([O:67][CH:68]([CH3:69])[CH3:70])=[O:71].[OH2:72].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH2:10][N:11]([c:12]2[n:13][cH:14][cH:15][c:16](-[c:18]3[cH:19][cH:20][c:21]([O:24][CH:35]4[CH2:34][CH2:33][CH:32]([CH3:31])[CH2:37][CH2:36]4)[cH:22][cH:23]3)[n:17]2)[CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[cH:7][cH:8][cH:9]1)=[O:30]